Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/STO-3G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | 2.22 | 2.24 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.116 | 0.046 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 2.061 |
Highest value | SF5Cl | sulfur chloropentafluoride | 2.212 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.185 | 1 | 2 |
SCl | sulfur monochloride | 2.067 | 1 | 2 |
SCl+ | sulfur monochloride cation | 2.061 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.077 | 1 | 2 |
2.077 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.092 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.083 | 1 | 3 |
SOCl2 | thionyl chloride | 2.150 | 1 | 3 |
2.150 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.088 | 1 | 3 |
2.088 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.149 | 1 | 4 |
2.149 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.212 | 1 | 2 |